(7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol

C8H12FNO — CID 163870816

IUPAC(7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
SMILESOCC12CCCN1CC=C2F
InChIInChI=1S/C8H12FNO/c9-7-2-5-10-4-1-3-8(7,10)6-11/h2,11H,1,3-6H2
InChIKeyVTJVUYGAVDQNGV-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.68
Rot. Bonds1

About (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol

(7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol (PubChem CID 163870816) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
PubChem CID163870816
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
SMILESOCC12CCCN1CC=C2F
InChIInChI=1S/C8H12FNO/c9-7-2-5-10-4-1-3-8(7,10)6-11/h2,11H,1,3-6H2
InChIKeyVTJVUYGAVDQNGV-UHFFFAOYSA-N
XLogP0.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
The IUPAC name of (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol (CID 163870816) is (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol.
What is the SMILES notation for (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
The canonical SMILES for (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol is OCC12CCCN1CC=C2F.
What is the InChIKey of (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
The InChIKey is VTJVUYGAVDQNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c9-7-2-5-10-4-1-3-8(7,10)6-11/h2,11H,1,3-6H2.
What are the key properties of (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol?
(7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol has a molecular weight of 157.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol is sourced from PubChem (CID 163870816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).